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Molecular dynamics simulation on the brittle-ductile transition of BCC iron

Kaburaki, Hideo

Many single crystal metals, such as BCC iron, intrinsically exhibit brittle-to-ductile transition (BDT) as a function of temperature and strain rate. These materials are generally brittle at low temperatures or high strain rates, and become ductile as the temperature rises or the strain rate decreases. Although there have been many experimental studies on BDT, its mechanism is not clearly identified. We employed the atomistic method, molecular dynamics method, to clarify the mechanism of BDT for BCC iron. We studied the pure iron system containing one grain boundary to realize the BDT. We have found that the BDT temperature is shifted to the higher temperature region, compared to experiment, due to the high strain rate used in the molecular dynamics method.

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